#!/usr/bin/env python
#    rsp_hfc
#    -------
#    Molecule:         TiF3
#    Wave Function:    Restricted open-shell DFT:BP86  
#    Test Purpose:     Single-point calculation of hfc parameters

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dalton import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()

f.add(string = 'Final DFT energy',
      rel_tolerance = 1.0e-8)

f.add(string = 'LAGRANGIAN:',
      abs_tolerance = 1.0e-4)

test.run(['rsp_hfc.dal'], ['TiF3_STO-3G_sym.mol'], f={'out': f})

sys.exit(test.return_code)
